2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid

C15H12Cl2O2 — CID 45268160

IUPAC2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2O2/c16-13-6-3-7-14(17)12(13)8-10-4-1-2-5-11(10)9-15(18)19/h1-7H,8-9H2,(H,18,19)
InChIKeyJJQADDQPQKGVLH-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.21
Rot. Bonds4

About 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid

2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid (PubChem CID 45268160) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid
PubChem CID45268160
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2O2/c16-13-6-3-7-14(17)12(13)8-10-4-1-2-5-11(10)9-15(18)19/h1-7H,8-9H2,(H,18,19)
InChIKeyJJQADDQPQKGVLH-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid (CID 45268160) is 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid?
The InChIKey is JJQADDQPQKGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-13-6-3-7-14(17)12(13)8-10-4-1-2-5-11(10)9-15(18)19/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid?
2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid has a molecular weight of 295.17 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetic acid is sourced from PubChem (CID 45268160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).